N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

C14H17N3O4 — CID 2249697

IUPACN'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NN=Cc1cccc(OC)c1OC
InChIInChI=1S/C14H17N3O4/c1-4-8-15-13(18)14(19)17-16-9-10-6-5-7-11(20-2)12(10)21-3/h4-7,9H,1,8H2,2-3H3,(H,15,18)(H,17,19)
InChIKeyARCQLLFVPASCEA-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.46
Rot. Bonds6

About N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 2249697) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID2249697
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NN=Cc1cccc(OC)c1OC
InChIInChI=1S/C14H17N3O4/c1-4-8-15-13(18)14(19)17-16-9-10-6-5-7-11(20-2)12(10)21-3/h4-7,9H,1,8H2,2-3H3,(H,15,18)(H,17,19)
InChIKeyARCQLLFVPASCEA-UHFFFAOYSA-N
XLogP0.46
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931109
N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2244283
[2-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474234
N'-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8901516
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8900453
N-(5-chloro-2-methoxyphenyl)-N'-[(2,3-dimethoxyphenyl)methylideneamino]oxamide
CID 4064116
N'-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930114
1-[(E)-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 44636928
1-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-prop-2-enylthiourea
CID 3632699
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907928
1-(4-chlorophenyl)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]urea
CID 110536875
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]tetradecanamide
CID 51060988

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (CID 2249697) is N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NN=Cc1cccc(OC)c1OC.
What is the InChIKey of N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is ARCQLLFVPASCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-8-15-13(18)14(19)17-16-9-10-6-5-7-11(20-2)12(10)21-3/h4-7,9H,1,8H2,2-3H3,(H,15,18)(H,17,19).
What are the key properties of N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 291.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dimethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 2249697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).